3,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
[CAS# 67298-49-1]

Identification

• Name: 3,8-Dihydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
• Synonyms: Neuro_000143; 1,2,3,11A-Tetrahydro-3,8-Dihydroxy-7-Methoxy-5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One; Nsc 285223
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.26
• CAS Registry Number: 67298-49-1
• SMILES: C1=C(OC)C(=CC3=C1C(N2C(CCC2O)C=N3)=O)O
• InChI: 1S/C13H14N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-7,12,16-17H,2-3H2,1H3
• InChIKey: FXMOIYLVKOALHC-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 582.265°C at 760 mmHg (Cal.)
• Flash point: 305.943°C (Cal.)